UCSF

ZINC33860670

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.65 18.13 -10.61 1 5 0 56 520.471 11
Lo Low (pH 4.5-6) 7.65 18.52 -30.66 2 5 1 57 521.479 11

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )